1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid

C19H26N2O3 — CID 122012411

IUPAC1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)[C@H]1C[C@@H](NC(=O)N2CCCC(C(=O)O)C2)c2ccccc21
InChIInChI=1S/C19H26N2O3/c1-12(2)16-10-17(15-8-4-3-7-14(15)16)20-19(24)21-9-5-6-13(11-21)18(22)23/h3-4,7-8,12-13,16-17H,5-6,9-11H2,1-2H3,(H,20,24)(H,22,23)/t13?,16-,17-/m1/s1
InChIKeyWTYIVEBBULMLEW-SYFTWWQRSA-N
MW330.43 g/mol
LogP3.38
Rot. Bonds3

About 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122012411) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122012411
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)[C@H]1C[C@@H](NC(=O)N2CCCC(C(=O)O)C2)c2ccccc21
InChIInChI=1S/C19H26N2O3/c1-12(2)16-10-17(15-8-4-3-7-14(15)16)20-19(24)21-9-5-6-13(11-21)18(22)23/h3-4,7-8,12-13,16-17H,5-6,9-11H2,1-2H3,(H,20,24)(H,22,23)/t13?,16-,17-/m1/s1
InChIKeyWTYIVEBBULMLEW-SYFTWWQRSA-N
XLogP3.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122012405
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 84588684
1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122010655
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015654
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122012411) is 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid is CC(C)[C@H]1C[C@@H](NC(=O)N2CCCC(C(=O)O)C2)c2ccccc21.
What is the InChIKey of 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is WTYIVEBBULMLEW-SYFTWWQRSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(2)16-10-17(15-8-4-3-7-14(15)16)20-19(24)21-9-5-6-13(11-21)18(22)23/h3-4,7-8,12-13,16-17H,5-6,9-11H2,1-2H3,(H,20,24)(H,22,23)/t13?,16-,17-/m1/s1.
What are the key properties of 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122012411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).